Package schrodinger :: Package application :: Package matsci :: Module equilibrium_md :: Class TrjBase

Class TrjBase

       object --+    
                |    
EquilibriumMdBase --+
                    |
                   TrjBase

This is a base class for equilibrium MD subclass that uses trajectory, and should be not be instantiated directly.

Instance Methods

readTrj(self)
Read trj frames from trj folder.

checkTau(self, total_trj_frame_num, min_tau_data_point)
Check whether trj frame number is large enough.

checkVel(self)
Check whether each frame contains velocity information.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from object: __class__

Method Details

Check whether trj frame number is large enough.

Parameters: